Structure & Deep Data of Sorbitan stearate (C24H46O6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Sorbitan stearate molecule contains a total of 76 bond(s). There are 30 non-H bond(s), 1 multiple bond(s), 20 rotatable bond(s), 1 double bond(s), 1 five-membered ring(s), 1 ester(s) (aliphatic), 3 hydroxyl group(s), 3 secondary alcohol(s), 1 ether(s) (aliphatic), and 1 Oxolane(s). Images of the chemical structure of Sorbitan stearate are given below:

The 2D chemical structure image of Sorbitan stearate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Sorbitan stearate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Sorbitan stearate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Sorbitan stearate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Sorbitan stearate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Sorbitan stearate

  The SMILES string of Sorbitan stearate is CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Sorbitan stearate.

• Structure Data File (SDF/MOL File) of Sorbitan stearate

  The structure data file (SDF/MOL File) of Sorbitan stearate is available for download in the SDF page of Sorbitan stearate, which provides the information about the atoms, bonds, connectivity and coordinates of Sorbitan stearate. The Sorbitan stearate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Sorbitan stearate

  The molecular formula of Sorbitan stearate is available in chemical formula page of Sorbitan stearate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Sorbitan stearate

  The molecular weight of Sorbitan stearate is available in molecular weight page of Sorbitan stearate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Sorbitan stearate

  The Sorbitan stearate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Sorbitan stearate including the various registry numbers, if available:

  • SR-01000883982-1
  • Sorbitane monostearate
  • SORBITAN MONOSTEARATE
  • Sorbitan stearate
  • 1338-41-6
  • Span® 60
  • MFCD00005366
  • Span 60 = Sorbitan Monostearate
  • Span(R) 60

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Sorbitan stearate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Sorbitan stearate?
C24H46O6
How many atoms and what are the elements included the Sorbitan stearate molecule?
76 atom(s) - 46 Hydrogen atom(s), 24 Carbon atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Sorbitan stearate structure?
76 bond(s) - 30 non-H bond(s), 1 multiple bond(s), 20 rotatable bond(s), 1 double bond(s), 1 five-membered ring(s), 1 ester(s) (aliphatic), 3 hydroxyl group(s), 3 secondary alcohol(s), 1 ether(s) (aliphatic), and 1 Oxolane(s)
What’s the Sorbitan stearate’s molecular weight?
430.61844 g/mol
What’s the SMILES code of Sorbitan stearate?
CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O
What’s the InChI string of Sorbitan stearate?
InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3/t20-,21-,23+,24+/m0/s1
What’s the InChIKey code of Sorbitan stearate?
HVUMOYIDDBPOLL-NEUULRRLSA-N

699 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).